2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8008-4850 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(5-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-1,3-benzoxazol-2-yl)phenyl]acetamide |
| Molecular Weight: | 607.67 |
| Molecular Formula: | C31 H21 N5 O5 S2 |
| Smiles: | C(C(Nc1ccc(cc1)c1nc2cc(ccc2o1)NC(CSc1nc2ccccc2o1)=O)=O)Sc1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 6.6663 |
| logD: | 6.6662 |
| logSw: | -6.1405 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.131 |
| InChI Key: | LVQRJNDBASFPMO-UHFFFAOYSA-N |